4-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one

C6H4F3NO2 — CID 118704240

IUPAC4-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(O)c(C(F)(F)F)c[nH]1
InChIInChI=1S/C6H4F3NO2/c7-6(8,9)3-2-10-5(12)1-4(3)11/h1-2H,(H2,10,11,12)
InChIKeyBFIILGATXITSJB-UHFFFAOYSA-N
MW179.10 g/mol
LogP1.10
Rot. Bonds

About 4-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one

4-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 118704240) has the molecular formula C6H4F3NO2 and a molecular weight of 179.10 g/mol. Its IUPAC name is 4-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID118704240
Molecular FormulaC6H4F3NO2
Molecular Weight179.10 g/mol
Exact Mass179.02
IUPAC Name4-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(O)c(C(F)(F)F)c[nH]1
InChIInChI=1S/C6H4F3NO2/c7-6(8,9)3-2-10-5(12)1-4(3)11/h1-2H,(H2,10,11,12)
InChIKeyBFIILGATXITSJB-UHFFFAOYSA-N
XLogP1.10
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.10
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-5-methylpyridin-2(1H)-one
CID 54720146
4,6-Dihydroxynicotinonitrile
CID 54706325
5-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-2-one
CID 10607802
3-chloro-4-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one
CID 69330098
[2-oxo-5-(trifluoromethyl)-1H-pyridin-4-yl]boronic acid
CID 141700157
3,4-dihydroxy-5-(trifluoromethyl)-1H-pyridin-2-one
CID 144476432
boric acid;3,4-dihydroxy-5-(trifluoromethyl)-1H-pyridin-2-one
CID 158407453
4-Fluoro-5-(hydroxymethyl)-1,2-dihydropyridin-2-one
CID 58047412
2-Hydroxy-5-(trifluoromethyl)pyridine-4-methanol
CID 118704402
4-(Difluoromethyl)-5-(hydroxymethyl)pyridin-2-ol
CID 118806283
4-(Difluoromethyl)pyridine-2,3,5-triol
CID 118829470
4-(Difluoromethyl)-3-fluoropyridine-2,5-diol
CID 118834440

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one (CID 118704240) is 4-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one is O=c1cc(O)c(C(F)(F)F)c[nH]1.
What is the InChIKey of 4-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is BFIILGATXITSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO2/c7-6(8,9)3-2-10-5(12)1-4(3)11/h1-2H,(H2,10,11,12).
What are the key properties of 4-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one?
4-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 179.10 g/mol, XLogP of 1.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118704240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).